Geometry & MOs

Info

ID:	380358
PubChem CID:	134970781
Reduced:	SN2O5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	446.187543
ΔH_f, kcal/mol:	-185.52
Dipole, Da:	7.73
IP(EA), eV:	-9.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(Z,2R,5S)-5-hydroxy-1-[(4-methylphenyl)sulfonylamino]-5-phenylpent-3-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](/C=C\[C@@H](C2=CC=CC=C2)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations